CHEMBL3350130


SMILES O=C(CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey XQVPPJLZOSQCEL-ZGEYVBPXSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 10
Rotatable bonds 17
Molecular weight (Da) 994.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Guinea pig Opioid A pKi 8.64 8.64 8.64 ChEMBL
δ OPRD Human Opioid A pKi 8.31 8.31 8.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database